Literature DB >> 2848098

A theoretical study of angiotensin-converting enzyme inhibitors.

M R Saunders1, M S Tute, G A Webb.   

Abstract

INDO molecular orbital calculations are reported for 35 selected angiotensin-converting enzyme inhibitors. QSARs are developed between pI50 data and molecular electronic indices. The QSARs obtained reflect the importance of both charge-charge interactions between inhibitor and receptor and of specific interactions between groups on the inhibitor with points around the molecule which are postulated to correspond to binding sites at the receptor.

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Year:  1987        PMID： 2848098     DOI： 10.1007/bf01676957

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  5 in total

1.  Angiotensin I-converting enzyme from guinea pig lung and serum. A comparison of some kinetic and inhibition properties.

Authors:  J J Lanzillo; B L Fanburg
Journal:  Biochim Biophys Acta       Date:  1976-08-12

2.  Design of potent competitive inhibitors of angiotensin-converting enzyme. Carboxyalkanoyl and mercaptoalkanoyl amino acids.

Authors:  D W Cushman; H S Cheung; E F Sabo; M A Ondetti
Journal:  Biochemistry       Date:  1977-12-13       Impact factor: 3.162

3.  Binding of peptide substrates and inhibitors of angiotensin-converting enzyme. Importance of the COOH-terminal dipeptide sequence.

Authors:  H S Cheung; F L Wang; M A Ondetti; E F Sabo; D W Cushman
Journal:  J Biol Chem       Date:  1980-01-25       Impact factor: 5.157

Review 4.  Angiotensin-converting enzyme inhibitors: medicinal chemistry and biological actions.

Authors:  E W Petrillo; M A Ondetti
Journal:  Med Res Rev       Date:  1982 Jan-Mar       Impact factor: 12.944

5.  Angiotensin-converting enzyme inhibitors: importance of the amide carbonyl of mercaptoacyl amino acids for hydrogen bonding to the enzyme.

Authors:  M E Condon; E W Petrillo; D E Ryono; J A Reid; R Neubeck; M Puar; J E Heikes; E F Sabo; K A Losee; D W Cushman; M A Ondetti
Journal:  J Med Chem       Date:  1982-03       Impact factor: 7.446
  5 in total
  1 in total

1.  The future of molecular dynamics simulations in drug discovery.

Authors:  David W Borhani; David E Shaw
Journal:  J Comput Aided Mol Des       Date:  2011-12-20       Impact factor: 3.686
  1 in total

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